2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide

C17H20N4O4S — CID 113155803

IUPAC2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)Nc1ccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N4O4S/c1-13(22)20-15-5-7-16(8-6-15)21(26(2,24)25)12-17(23)19-11-14-4-3-9-18-10-14/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyHMQOFNNTHNMMEQ-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.12
Rot. Bonds7

About 2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide

2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 113155803) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID113155803
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)Nc1ccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N4O4S/c1-13(22)20-15-5-7-16(8-6-15)21(26(2,24)25)12-17(23)19-11-14-4-3-9-18-10-14/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyHMQOFNNTHNMMEQ-UHFFFAOYSA-N
XLogP1.12
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113157287
N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]acetamide
CID 7678953
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 6489838
2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113157157
N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide
CID 113156230
2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137913
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137690
2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 113155819
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 126413663
N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 27654042
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1319046

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (CID 113155803) is 2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is CC(=O)Nc1ccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is HMQOFNNTHNMMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-13(22)20-15-5-7-16(8-6-15)21(26(2,24)25)12-17(23)19-11-14-4-3-9-18-10-14/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 376.44 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 113155803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).